SCHEMBL4861914

SCHEMBL4861914

Cc1cccc(NCCCO)c1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.72
ALDH1A1 P00352 8/20 0.51
TDP1 Q9NUW8 1/20 0.51
BRD4 O60885 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSTM2 P28161 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
OPRK1 P41145 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28855439 0.96 KAT2B (0.71) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL29901082 0.96 KAT2B (0.71) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL28855349 0.94 KAT2B (0.69) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL29901071 0.94 KAT2B (0.69) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL125386 0.91 KAT2B (0.68) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL29393615 0.91 KAT2B (0.68) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL9771638 0.89 KAT2B (0.56) KAT2BALDH1A1TDP1BRD4TSHR
SCHEMBL17819049 0.85 KAT2B (0.72) KAT2BALDH1A1TDP1TSHRHPGD
Hydrochloric Acid SCHEMBL515535 0.84 KAT2B (1.00) KAT2BALDH1A1TDP1TSHRHPGD
SCHEMBL29901086 0.83 KAT2B (0.59) KAT2BALDH1A1TDP1TSHRHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR KAT2B 785/4885ALDH1A1 968/4885TDP1 1822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.